(4-acetamidophenyl)-cyclohexylazanium chloride

C14H21ClN2O — CID 110179232

IUPAC(4-acetamidophenyl)-cyclohexylazanium chloride
SMILESCC(=O)Nc1ccc([NH2+]C2CCCCC2)cc1.[Cl-]
InChIInChI=1S/C14H20N2O.ClH/c1-11(17)15-13-7-9-14(10-8-13)16-12-5-3-2-4-6-12;/h7-10,12,16H,2-6H2,1H3,(H,15,17);1H
InChIKeyQRTLBCPVLXOQQT-UHFFFAOYSA-N
MW268.79 g/mol
LogP-0.82
Rot. Bonds3

About (4-acetamidophenyl)-cyclohexylazanium chloride

(4-acetamidophenyl)-cyclohexylazanium chloride (PubChem CID 110179232) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is (4-acetamidophenyl)-cyclohexylazanium chloride.

Molecular Properties

Compound Name(4-acetamidophenyl)-cyclohexylazanium chloride
PubChem CID110179232
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name(4-acetamidophenyl)-cyclohexylazanium chloride
SMILESCC(=O)Nc1ccc([NH2+]C2CCCCC2)cc1.[Cl-]
InChIInChI=1S/C14H20N2O.ClH/c1-11(17)15-13-7-9-14(10-8-13)16-12-5-3-2-4-6-12;/h7-10,12,16H,2-6H2,1H3,(H,15,17);1H
InChIKeyQRTLBCPVLXOQQT-UHFFFAOYSA-N
XLogP-0.82
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-acetamido-N-cyclooctylbenzamide
CID 2990044
N-[4-(cyclooctanecarbonyl)phenyl]acetamide
CID 65018343
2-(4-acetamidophenoxy)-N-cyclooctylacetamide
CID 112774945
4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927556
N-[4-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]phenyl]acetamide
CID 27059218
1-N'-(4-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
CID 108972267
cyclododecyl 4-acetamidobenzoate
CID 3973983
N-[4-[(2-tert-butylcyclohexyl)amino]phenyl]acetamide
CID 43097277
4-(4-acetamidobenzoyl)-N-cyclohexylpiperazine-1-carboxamide
CID 110812233
N-[4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]phenyl]acetamide
CID 171262963
N-(4-acetamidophenyl)-N-methylcyclohexanecarboxamide
CID 113094937
N-(4-acetamidophenyl)-N'-cyclopentyl-2,2-dimethylpropanediamide
CID 108958674

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl)-cyclohexylazanium chloride?
The IUPAC name of (4-acetamidophenyl)-cyclohexylazanium chloride (CID 110179232) is (4-acetamidophenyl)-cyclohexylazanium chloride.
What is the SMILES notation for (4-acetamidophenyl)-cyclohexylazanium chloride?
The canonical SMILES for (4-acetamidophenyl)-cyclohexylazanium chloride is CC(=O)Nc1ccc([NH2+]C2CCCCC2)cc1.[Cl-].
What is the InChIKey of (4-acetamidophenyl)-cyclohexylazanium chloride?
The InChIKey is QRTLBCPVLXOQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-11(17)15-13-7-9-14(10-8-13)16-12-5-3-2-4-6-12;/h7-10,12,16H,2-6H2,1H3,(H,15,17);1H.
What are the key properties of (4-acetamidophenyl)-cyclohexylazanium chloride?
(4-acetamidophenyl)-cyclohexylazanium chloride has a molecular weight of 268.79 g/mol, XLogP of -0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl)-cyclohexylazanium chloride is sourced from PubChem (CID 110179232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).